1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea

C19H24N4O4 — CID 51124920

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
SMILESCOc1ccc(CNC(=O)Nc2cccnc2N2CCOCC2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-25-16-6-5-14(12-17(16)26-2)13-21-19(24)22-15-4-3-7-20-18(15)23-8-10-27-11-9-23/h3-7,12H,8-11,13H2,1-2H3,(H2,21,22,24)
InChIKeyVXXFYZBAXCYXID-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.26
Rot. Bonds6

About 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 51124920) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
PubChem CID51124920
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
SMILESCOc1ccc(CNC(=O)Nc2cccnc2N2CCOCC2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-25-16-6-5-14(12-17(16)26-2)13-21-19(24)22-15-4-3-7-20-18(15)23-8-10-27-11-9-23/h3-7,12H,8-11,13H2,1-2H3,(H2,21,22,24)
InChIKeyVXXFYZBAXCYXID-UHFFFAOYSA-N
XLogP2.26
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896765
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445560
3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 76869548
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847
1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353603
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea (CID 51124920) is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea is COc1ccc(CNC(=O)Nc2cccnc2N2CCOCC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is VXXFYZBAXCYXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-25-16-6-5-14(12-17(16)26-2)13-21-19(24)22-15-4-3-7-20-18(15)23-8-10-27-11-9-23/h3-7,12H,8-11,13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 372.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 51124920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).